4-oxidanyl-4-(2-phenyl-1,3-dithian-2-yl)heptanedioic acid

Systemtic Name: 4-oxidanyl-4-(2-phenyl-1,3-dithian-2-yl)heptanedioic acid Openeye Name: 4-hydroxy-4-(2-phenyl-1,3-dithian-2-yl)heptanedioic acid CAS Name: 4-hydroxy-4-(2-phenyl-1,3-dithian-2-yl)heptanedioic acid IUPAC Name: 4-hydroxy-4-(2-phenyl-1,3-dithian-2-yl)heptanedioic acid Traditional Name: 4-hydroxy-4-(2-phenyl-1,3-dithian-2-yl)pimelic acid Formula: C17H22O5S2 MolecularWeight: 370.48358

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)(C2=CC=CC=C2)C(CCC(=O)O)(CCC(=O)O)O

Isomeric SMILES

C1CSC(SC1)(C2=CC=CC=C2)C(CCC(=O)O)(CCC(=O)O)O

InChI

InChI=1S/C17H22O5S2/c18-14(19)7-9-16(22,10-8-15(20)21)17(23-11-4-12-24-17)13-5-2-1-3-6-13/h1-3,5-6,22H,4,7-12H2,(H,18,19)(H,20,21)